3-[3-[2-[4-(2-phenylethanoyl)phenyl]-2-propylsulfonyl-hydrazinyl]propyl]benzoic acid

Systemtic Name: 3-[3-[2-[4-(2-phenylethanoyl)phenyl]-2-propylsulfonyl-hydrazinyl]propyl]benzoic acid Openeye Name: 3-[3-[2-[4-(2-phenylacetyl)phenyl]-2-propylsulfonyl-hydrazino]propyl]benzoic acid CAS Name: 3-[3-[2-[4-(1-oxo-2-phenylethyl)phenyl]-2-propylsulfonylhydrazinyl]propyl]benzoic acid IUPAC Name: 3-[3-[2-[4-(2-phenylacetyl)phenyl]-2-propylsulfonylhydrazinyl]propyl]benzoic acid Traditional Name: 3-[3-[N'-[4-(2-phenylacetyl)phenyl]-N'-propylsulfonyl-hydrazino]propyl]benzoic acid Formula: C27H30N2O5S MolecularWeight: 494.6025

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N(C1=CC=C(C=C1)C(=O)CC2=CC=CC=C2)NCCCC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCCS(=O)(=O)N(C1=CC=C(C=C1)C(=O)CC2=CC=CC=C2)NCCCC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C27H30N2O5S/c1-2-18-35(33,34)29(28-17-7-11-21-10-6-12-24(19-21)27(31)32)25-15-13-23(14-16-25)26(30)20-22-8-4-3-5-9-22/h3-6,8-10,12-16,19,28H,2,7,11,17-18,20H2,1H3,(H,31,32)